CID 15262188

2-methylpropane-1-sulfinyl chloride

Structural Information

Molecular Formula
C4H9ClOS
SMILES
CC(C)CS(=O)Cl
InChI
InChI=1S/C4H9ClOS/c1-4(2)3-7(5)6/h4H,3H2,1-2H3
InChIKey
BFDUPJOIMXDACJ-UHFFFAOYSA-N
Compound name
2-methylpropane-1-sulfinyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

140.00627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01355 122.9
[M+Na]+ 162.99549 131.3
[M-H]- 138.99899 124.0
[M+NH4]+ 158.04009 146.0
[M+K]+ 178.96943 129.4
[M+H-H2O]+ 123.00353 119.8
[M+HCOO]- 185.00447 135.7
[M+CH3COO]- 199.02012 171.9
[M+Na-2H]- 160.98094 124.8
[M]+ 140.00572 126.7
[M]- 140.00682 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe